![(3aR,4S,7aR)-Octahydro-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-1H-indole-1-carboxylic acid methyl ester Structure](/CAS2/GIF/543906-09-8.gif)
(3aR,4S,7aR)-Octahydro-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-1H-indole-1-carboxylic acid methyl ester
- Product Name(3aR,4S,7aR)-Octahydro-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-1H-indole-1-carboxylic acid methyl ester
- CAS543906-09-8
- MFC19H23NO3
- MW313.39
- EINECS
- MOL File543906-09-8.mol
Chemical Properties
| Melting point | 119 - 121°C |
| Boiling point | 476.3±45.0 °C(Predicted) |
| Density | 1.21 |
| storage temp. | 2-8°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 12.75±0.20(Predicted) |
| form | Solid |
| color | White to Off-White |
| InChI | InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)8-11-19(22)10-4-7-17-16(19)9-12-20(17)18(21)23-2/h3,5-6,13,16-17,22H,4,7,9-10,12H2,1-2H3/t16-,17-,19-/m1/s1 |
| InChIKey | ZFPZEYHRWGMJCV-ZHALLVOQSA-N |
| SMILES | N1(C(OC)=O)[C@@]2([H])[C@]([H])([C@](O)(C#CC3=CC=CC(C)=C3)CCC2)CC1 |